==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-06 2IAO . COMPND 2 MOLECULE: DIISOPROPYLFLUOROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LOLIGO VULGARIS; . AUTHOR E.I.SCHARFF,J.KOEPKE,G.FRITZSCH,C.LUECKE,H.RUETERJANS . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 3 7 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A I 0 0 115 0, 0.0 258,-0.2 0, 0.0 257,-0.1 0.000 360.0 360.0 360.0 116.1 11.2 -21.3 0.9 2 4 A P - 0 0 80 0, 0.0 258,-2.1 0, 0.0 2,-0.4 -0.302 360.0-158.5 -63.2 140.3 12.7 -23.5 3.6 3 5 A V E -a 260 0A 65 256,-0.2 2,-0.3 258,-0.1 258,-0.2 -0.984 2.5-160.7-123.1 130.2 11.2 -23.3 7.1 4 6 A I E -a 261 0A 43 256,-2.2 258,-2.6 -2,-0.4 255,-0.0 -0.774 7.0-155.0-105.6 154.9 12.9 -24.3 10.3 5 7 A E - 0 0 157 -2,-0.3 3,-0.1 256,-0.2 256,-0.1 -0.589 20.7-179.0-129.3 70.2 11.1 -25.1 13.5 6 8 A P - 0 0 31 0, 0.0 2,-0.3 0, 0.0 289,-0.0 -0.262 39.8 -88.9 -68.5 157.8 13.6 -24.4 16.4 7 9 A L - 0 0 142 287,-0.1 2,-0.5 256,-0.1 287,-0.4 -0.539 38.1-149.8 -70.4 125.6 12.6 -25.0 20.0 8 10 A F - 0 0 17 -2,-0.3 2,-0.4 285,-0.1 285,-0.2 -0.884 10.3-159.4-100.0 125.5 11.1 -22.0 21.6 9 11 A T E -E 292 0B 63 283,-3.2 283,-1.4 -2,-0.5 2,-0.1 -0.898 21.1-114.9-107.1 133.9 11.7 -21.7 25.3 10 12 A K E +E 291 0B 74 -2,-0.4 281,-0.2 281,-0.2 3,-0.1 -0.383 33.8 172.2 -66.5 139.0 9.5 -19.5 27.6 11 13 A V E - 0 0 21 279,-3.0 2,-0.3 1,-0.4 280,-0.2 0.741 61.5 -22.5-111.3 -54.3 11.2 -16.5 29.2 12 14 A T E -E 290 0B 6 278,-1.2 278,-2.6 37,-0.1 -1,-0.4 -0.978 59.7-146.8-157.1 160.5 8.4 -14.5 30.9 13 15 A E + 0 0 104 41,-0.3 276,-0.2 -2,-0.3 275,-0.1 -0.733 59.9 41.0-130.0 177.0 4.7 -14.0 30.7 14 16 A D + 0 0 127 273,-0.5 275,-0.2 -2,-0.2 -1,-0.2 0.890 60.9 144.5 51.2 55.8 1.8 -11.5 31.1 15 17 A I > - 0 0 1 273,-2.5 3,-2.0 272,-0.2 2,-0.2 -0.921 51.3-126.4-123.3 99.0 3.4 -8.5 29.5 16 18 A P T 3 S- 0 0 52 0, 0.0 19,-1.7 0, 0.0 20,-0.3 -0.257 89.1 -8.8 -49.3 111.0 0.6 -6.5 27.6 17 19 A G T 3 S- 0 0 0 17,-0.2 268,-0.1 -2,-0.2 15,-0.1 0.827 91.5-146.1 65.7 35.1 1.8 -5.9 24.0 18 20 A A < + 0 0 0 -3,-2.0 2,-0.2 266,-0.3 252,-0.2 0.032 37.3 143.5 -36.4 122.8 5.3 -7.2 24.8 19 21 A E E +H 32 0C 8 13,-2.1 13,-2.5 -3,-0.1 54,-0.2 -0.825 29.0 50.1-151.8-176.5 7.9 -5.3 22.8 20 22 A G E - 0 0 1 52,-0.9 53,-0.1 -2,-0.2 -1,-0.1 0.770 57.6-166.0 45.5 48.6 11.3 -3.8 22.6 21 23 A P E + 0 0 3 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.380 20.4 163.1 -63.1 136.0 13.6 -6.7 23.8 22 24 A V E -H 30 0C 0 8,-1.9 8,-2.6 250,-0.1 2,-0.4 -0.994 33.5-145.1-158.2 147.8 17.0 -5.3 24.7 23 25 A F E -H 29 0C 1 -2,-0.3 6,-0.2 6,-0.2 53,-0.2 -0.935 20.7-147.3-113.6 136.1 20.2 -6.2 26.5 24 26 A D > - 0 0 5 4,-2.0 3,-1.2 -2,-0.4 52,-0.1 -0.170 39.3 -81.6 -89.7-168.7 22.3 -3.6 28.3 25 27 A K T 3 S+ 0 0 91 1,-0.3 56,-0.0 2,-0.1 -1,-0.0 0.596 128.8 49.5 -70.9 -13.6 26.1 -3.3 28.8 26 28 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 55,-0.0 55,-0.0 0.333 121.2-103.9-105.1 3.5 26.0 -5.7 31.8 27 29 A G < + 0 0 37 -3,-1.2 2,-0.2 1,-0.3 -2,-0.1 0.666 69.8 150.7 84.1 14.4 23.9 -8.3 30.0 28 30 A D - 0 0 73 22,-0.0 -4,-2.0 1,-0.0 2,-0.4 -0.565 40.5-128.9 -79.6 147.3 20.7 -7.4 31.8 29 31 A F E -HI 23 49C 1 20,-0.7 20,-2.8 -6,-0.2 2,-0.3 -0.829 24.7-175.4-104.0 137.2 17.5 -8.0 29.9 30 32 A Y E -HI 22 48C 1 -8,-2.6 -8,-1.9 -2,-0.4 2,-0.3 -0.955 6.8-178.7-131.1 150.4 14.6 -5.5 29.4 31 33 A I E - I 0 47C 1 16,-2.5 16,-3.5 -2,-0.3 2,-0.4 -0.936 18.9-135.3-140.5 152.5 11.2 -5.5 27.8 32 34 A V E -HI 19 46C 0 -13,-2.5 -13,-2.1 -2,-0.3 14,-0.2 -0.927 2.6-157.5-115.0 143.7 8.5 -2.8 27.4 33 35 A A E > + I 0 45C 1 12,-3.3 12,-1.8 -2,-0.4 3,-1.1 -0.759 19.4 169.7-117.6 81.4 4.8 -3.2 28.0 34 36 A P T 3 S+ 0 0 9 0, 0.0 9,-0.3 0, 0.0 10,-0.2 0.711 70.5 60.2 -64.4 -25.4 3.2 -0.5 25.9 35 37 A Q T 3 + 0 0 109 -19,-1.7 2,-0.3 7,-0.1 -18,-0.2 0.252 69.4 120.9 -92.1 12.2 -0.4 -1.7 26.3 36 38 A V < - 0 0 24 -3,-1.1 7,-2.1 -20,-0.3 2,-0.3 -0.620 45.7-169.5 -74.9 130.6 -0.6 -1.4 30.1 37 39 A E E -K 42 0D 120 -2,-0.3 2,-0.5 5,-0.2 -2,-0.1 -0.917 25.6-156.5-127.3 152.5 -3.5 1.0 30.9 38 40 A V E > S-K 41 0D 78 3,-2.2 3,-1.0 -2,-0.3 -2,-0.0 -0.936 86.7 -23.4-127.7 101.2 -4.8 2.8 34.0 39 41 A N T 3 S- 0 0 159 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.924 125.8 -49.9 61.3 48.9 -8.5 3.6 33.6 40 42 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.390 117.7 106.8 75.3 -3.1 -8.5 3.6 29.8 41 43 A K E < S-K 38 0D 152 -3,-1.0 -3,-2.2 1,-0.1 -1,-0.2 -0.792 81.0 -85.9-109.3 152.6 -5.4 5.8 29.6 42 44 A P E +K 37 0D 49 0, 0.0 26,-0.5 0, 0.0 -5,-0.2 -0.238 47.6 159.2 -56.5 134.4 -1.8 5.0 28.6 43 45 A A + 0 0 9 -7,-2.1 27,-0.1 -9,-0.3 -6,-0.1 -0.261 21.2 179.5-151.1 47.8 0.4 3.7 31.4 44 46 A G - 0 0 0 25,-2.5 2,-0.3 -10,-0.2 25,-0.3 -0.159 10.8-148.8 -56.9 150.3 3.1 1.9 29.5 45 47 A E E -I 33 0C 35 -12,-1.8 -12,-3.3 26,-0.2 2,-0.5 -0.881 15.4-148.0-128.2 154.9 6.0 0.2 31.4 46 48 A I E -IJ 32 60C 0 14,-2.8 13,-2.0 -2,-0.3 14,-1.6 -0.987 30.8-167.9-119.1 119.3 9.6 -0.6 30.9 47 49 A L E -IJ 31 58C 7 -16,-3.5 -16,-2.5 -2,-0.5 2,-0.4 -0.837 22.2-143.4-117.7 152.1 10.6 -3.8 32.7 48 50 A R E -IJ 30 57C 60 9,-3.0 9,-1.8 -2,-0.3 2,-0.4 -0.900 22.9-150.4-106.7 134.8 13.8 -5.7 33.7 49 51 A I E -IJ 29 56C 5 -20,-2.8 2,-0.8 -2,-0.4 -20,-0.7 -0.930 11.1-136.2-112.5 132.4 13.5 -9.5 33.4 50 52 A D > - 0 0 84 5,-2.2 4,-3.5 -2,-0.4 5,-0.3 -0.803 15.4-156.8 -84.3 111.5 15.5 -11.9 35.6 51 53 A L T 4 S+ 0 0 70 -2,-0.8 -1,-0.2 1,-0.2 -23,-0.0 0.706 88.9 53.9 -64.0 -21.0 16.6 -14.5 33.1 52 54 A K T 4 S+ 0 0 192 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.853 127.2 16.1 -81.2 -36.5 17.0 -17.1 35.8 53 55 A T T 4 S- 0 0 88 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.613 90.3-127.6-111.6 -21.0 13.5 -16.8 37.2 54 56 A G < + 0 0 15 -4,-3.5 -41,-0.3 1,-0.3 2,-0.2 0.543 55.6 155.3 80.9 4.8 11.5 -15.0 34.6 55 57 A K - 0 0 157 -5,-0.3 -5,-2.2 -43,-0.1 2,-0.3 -0.477 34.9-136.3 -70.5 135.9 10.4 -12.6 37.3 56 58 A K E -J 49 0C 85 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.686 19.4-175.1 -97.9 146.5 9.5 -9.1 36.2 57 59 A T E -J 48 0C 77 -9,-1.8 -9,-3.0 -2,-0.3 2,-0.8 -0.980 19.9-141.4-141.2 119.7 10.4 -5.7 37.7 58 60 A V E +J 47 0C 65 -2,-0.4 -11,-0.2 -11,-0.2 3,-0.1 -0.755 24.5 171.9 -83.5 112.3 9.0 -2.4 36.4 59 61 A I E + 0 0 26 -13,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.701 66.6 22.1 -93.4 -20.7 11.8 0.0 36.6 60 62 A C E +J 46 0C 7 -14,-1.6 -14,-2.8 2,-0.0 -1,-0.3 -0.996 43.8 179.8-151.9 139.0 10.0 2.8 34.7 61 63 A K - 0 0 90 -2,-0.3 -16,-0.2 -16,-0.2 -17,-0.1 -0.746 36.5-147.0-134.7 76.2 6.4 3.9 34.0 62 64 A P + 0 0 1 0, 0.0 7,-2.7 0, 0.0 2,-0.3 -0.226 27.4 164.1 -55.7 132.8 7.0 7.1 32.0 63 65 A E E -L 68 0E 103 5,-0.3 2,-0.5 -20,-0.1 5,-0.2 -0.971 19.6-162.4-149.9 131.5 4.6 10.0 32.3 64 66 A V E > S-L 67 0E 26 3,-2.3 3,-1.4 -2,-0.3 0, 0.0 -0.963 79.8 -21.7-121.2 109.1 5.1 13.6 31.2 65 67 A N T 3 S- 0 0 135 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.851 129.5 -46.6 61.7 39.4 2.6 16.0 32.7 66 68 A G T 3 S+ 0 0 65 1,-0.2 2,-0.8 0, 0.0 -1,-0.3 0.375 113.0 119.8 87.1 -7.9 0.0 13.4 33.4 67 69 A Y E < -L 64 0E 102 -3,-1.4 -3,-2.3 -26,-0.0 -1,-0.2 -0.839 56.1-145.1 -96.4 109.2 0.4 11.8 30.0 68 70 A G E -L 63 0E 11 -2,-0.8 -5,-0.3 -26,-0.5 -25,-0.2 -0.387 16.4-121.8 -71.7 148.8 1.5 8.2 30.2 69 71 A G - 0 0 0 -7,-2.7 -25,-2.5 -25,-0.3 -1,-0.1 -0.356 5.5-144.5 -90.2 167.8 3.8 6.8 27.6 70 72 A I - 0 0 26 -27,-0.1 18,-2.7 -28,-0.1 2,-0.2 -0.731 25.8-162.5-126.3 71.4 3.4 3.8 25.3 71 73 A P E +M 87 0F 0 0, 0.0 16,-0.3 0, 0.0 -26,-0.2 -0.463 21.7 160.2 -60.8 127.0 7.1 2.6 25.2 72 74 A A E + 0 0 2 14,-3.3 -52,-0.9 1,-0.3 2,-0.3 0.652 48.7 27.5-126.1 -22.9 7.6 0.3 22.2 73 75 A G E -M 86 0F 0 13,-1.3 13,-2.8 -54,-0.2 2,-0.3 -1.000 57.6-160.9-147.2 149.4 11.2 -0.1 21.1 74 76 A C E +M 85 0F 4 -2,-0.3 2,-0.3 11,-0.2 46,-0.2 -0.912 13.7 176.5-135.3 158.8 14.6 -0.1 22.7 75 77 A Q E -M 84 0F 8 9,-1.3 9,-2.9 -2,-0.3 2,-0.4 -0.961 29.4-126.9-150.7 141.7 18.4 0.3 21.9 76 78 A C E -M 83 0F 1 -2,-0.3 228,-0.4 7,-0.2 7,-0.2 -0.813 22.7-125.7 -98.9 139.6 21.2 0.4 24.5 77 79 A D - 0 0 17 5,-2.8 -52,-0.1 -2,-0.4 5,-0.1 -0.333 9.3-149.4 -76.4 161.4 23.7 3.2 24.5 78 80 A R S S+ 0 0 38 3,-0.1 -1,-0.1 -2,-0.1 230,-0.1 0.886 90.0 45.7 -97.5 -53.1 27.5 2.6 24.3 79 81 A D S S+ 0 0 90 1,-0.1 2,-0.3 228,-0.0 -1,-0.1 0.574 126.9 25.7 -70.4 -10.7 29.2 5.4 26.2 80 82 A A S S- 0 0 37 2,-0.1 2,-2.0 0, 0.0 -3,-0.2 -0.977 85.0-116.6-152.6 138.2 26.7 5.1 29.0 81 83 A N S S+ 0 0 38 -2,-0.3 16,-0.5 -5,-0.1 2,-0.3 -0.579 72.6 121.9 -79.2 79.5 24.6 2.1 30.2 82 84 A Q E - 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